ChemSpider 2D Image | 1-(1Z,11Z-octadecadienyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine | C41H76NO7P

1-(1Z,11Z-octadecadienyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID24769293

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(7Z,17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (7Z,17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dién-21-yle [French] [ACD/IUPAC Name]
1-(1Z,11Z-octadecadienyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine
9,12-Octadecadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z,11Z)-1,11-octadecadien-1-yloxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid
(7Z,17Z,21R)-27-amino-24-hydroxy-24-oxo-19,23,25-trioxa-24λ(5)-phosphaheptacosa-7,17-dien-21-yl (9Z,12Z)-octadeca-9,12-dienoate
1-(1-Enyl-vaccenoyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine
1-(1Z,11Z-octadecadienyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A 1-(alk-1-enyl)-2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1<stereo>Z</stereo>,11<stereo>Z</stereo>)-octadecadi enyl and linoleoyl respectively. ChEBI CHEBI:90486
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,11Z)-octadecadi; enyl and linoleoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90486
      A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,11Z)-octadecadienyl and linoleoyl respectively. ChEBI CHEBI:90486

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 749.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.1±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.85
ACD/LogD (pH 5.5): 8.88
ACD/BCF (pH 5.5): 825291.50
ACD/KOC (pH 5.5): 116351.27
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 666196.25
ACD/KOC (pH 7.4): 93921.70
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

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